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CHEBI:32636 - acetaminophen O-β-D-glucosiduronic acid

ChEBI IDCHEBI:32636
ChEBI Nameacetaminophen O-β-D-glucosiduronic acid
Stars
ASCII Nameacetaminophen O-beta-D-glucosiduronic acid
DefinitionA β-D-glucosiduronic acid that is the O-glucuronide of paracetamol (acetaminophen).
Last Modified12 August 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H17NO8
Net Charge0
Average Mass327.289
Monoisotopic Mass327.09542
SMILESCC(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
InChIKeyIPROLSVTVHAQLE-BYNIDDHOSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) has functional parent paracetamol (CHEBI:46195)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) has functional parent β-D-glucuronic acid (CHEBI:28860)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) has role drug metabolite (CHEBI:49103)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) is a β-D-glucosiduronic acid (CHEBI:15341)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) is conjugate acid of acetaminophen O-β-D-glucosiduronate (CHEBI:132962)
Incoming Relation(s)
acetaminophen O-β-D-glucosiduronate (CHEBI:132962) is conjugate base of acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636)
IUPAC Name 
4-acetamidophenyl β-D-glucopyranosiduronic acid
Synonyms  Source
Paracetamol glucuronideChemIDplus
Acetaminophen glucuronideChemIDplus
Manual XrefsDatabases
HMDB0010316HMDB
Registry NumbersSources
Reaxys:46644Reaxys
CAS:16110-10-4ChemIDplus
Citations